2-Mercaptopyrazine - ≥97%(HPLC) , CAS No.38521-06-1

CAS: 38521-06-1 Cat. No.: M170065 분자식: C₄H₄N₂S 분자량: 112.15 EC 번호: 809-117-9

등급 & 순도 ≥97%(HPLC)

Synonyms

1H-pyrazine-2-thione | Pyrazine-2(1H)-thione | pyrazine-2-thiol | mercaptopyrazine | FT-0691851 | AKOS008093149 | AM100749 | MFCD00235012 | 1,2-dihydropyrazine-2-thione | DTXSID20395425 | 2-Mercaptopyrazine | 2-pyrazinethiol | Q-200298 | 2(1H)-Pyrazinethi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

1H-pyrazine-2-thione | Pyrazine-2(1H)-thione | pyrazine-2-thiol | mercaptopyrazine | FT-0691851 | AKOS008093149 | AM100749 | MFCD00235012 | 1,2-dihydropyrazine-2-thione | DTXSID20395425 | 2-Mercaptopyrazine | 2-pyrazinethiol | Q-200298 | 2(1H)-Pyrazinethi

사양 및 순도

≥97%(HPLC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%(HPLC)

이름과 식별자

Pubchem Sid

504762677

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762677

정식 스마일

C1=CN=CC(=S)N1

IUPAC Name

1H-pyrazine-2-thione

InChIKey

HKAVADYDPYUPRD-UHFFFAOYSA-N

INCHI

1S/C4H4N2S/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)

이성체 SMILES

C1=CN=CC(=S)N1

분자량

112.15

Reaxy-Rn

106973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: Air Sensitive,Heat Sensitive
• 녹는점(°C): 213 °C(dec.)
• 분자량: 112.160 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.01 Da
• Monoisotopic Mass: 112.01 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38521-06-1, the molecular formula is C4H4N2S, and the molecular weight is 112.15 g/mol. InChIKey HKAVADYDPYUPRD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.